Basic information
- Standard SMILES
CCCCCCCCCCCCc1ccc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(Cl)c1- InChIKey
FRCZTVAIOSUDHA-UHFFFAOYSA-N- Molecular formula
- C27H34Cl2FN3
- Average molar mass
- 490.5 g/mol
Names & identifiers
- Preferred name
- 3-(2-chloro-6-fluorophenyl)-5-(2-chloro-4-dodecylphenyl) 1-methyl-1H-1,2,4-triazol
- IUPAC
- 5-(2-chloro-4-dodecylphenyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1,2,4-triazole
Names & synonyms
SCHEMBL8875250FRCZTVAIOSUDHA-UHFFFAOYSA-N3-(2-chloro-6-fluorophenyl)-5-(2-chloro-4-dodecylphenyl) 1-methyl-1H-1,2,4-triazol3-(2-chloro-6-fluorophenyl)-5-(2-chloro-4-dodecylphenyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 21463633
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 539
Related reactions
2 records
Compound notes
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